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1(S)-(t-Butoxy)-8-acetoxy-7-oxo-9a(S),11a(S)-dimethyltetracyclo[12.11.8.7.4.3.0(11a,3a).0(3b,9b).0(5a,9a)]heptadec-6(5a)ene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1(S)-(t-Butoxy)-8-acetoxy-7-oxo-9a(S),11a(S)-dimethyltetracyclo[12.11.8.7.4.3.0(11a,3a).0(3b,9b).0(5a,9a)]heptadec-6(5a)ene
SpectraBase Compound ID 3tgpQjgL6js
InChI InChI=1S/C25H36O4/c1-15(26)28-21-14-25(6)16(13-20(21)27)7-8-17-18-9-10-22(29-23(2,3)4)24(18,5)12-11-19(17)25/h13-14,17-19,22H,7-12H2,1-6H3/t17?,18?,19?,22-,24-,25-/m0/s1
InChIKey XQBYELSRNQRWRD-DQZXTORNSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MapZXIV737
Name 1(S)-(T-Butoxy)-8-acetoxy-7-oxo-9A(S),11A(S)-dimethyltetracyclo[12.11.8.7.4.3.0(11A,3A).0(3B,9B).0(5A,9A)]heptadec-6(5A)ene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.261359635 u
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-15(26)28-21-14-25(6)16(13-20(21)27)7-8-17-18-9-10-22(29-23(2,3)4)24(18,5)12-11-19(17)25/h13-14,17-19,22H,7-12H2,1-6H3/t17?,18?,19?,22-,24-,25-/m0/s1
InChIKey XQBYELSRNQRWRD-DQZXTORNSA-N
Molecular Weight 400.559 g/mol
SMILES [C@]12(C=C(OC(=O)C)C(C=C2CCC2C3CC[C@@]([C@]3(CCC12)C)(OC(C)(C)C)[H])=O)C